REMARK Name = BDB031718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.062 0.245 -2.514 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.849 1.364 -1.687 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.614 1.497 -1.042 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.425 0.589 -1.188 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.481 1.093 -0.364 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.127 2.244 0.215 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.228 -0.520 -2.033 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.135 2.446 -0.183 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.617 3.266 0.163 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.008 -0.669 -2.683 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.514 -0.655 1.358 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.076 -0.764 0.030 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.842 -0.218 -0.989 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.682 -0.153 -2.482 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.382 0.064 -3.229 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.936 0.548 -2.953 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.676 0.859 -1.826 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.566 1.330 -1.873 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.217 0.787 -4.115 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.074 -1.284 -3.259 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.050 0.412 -0.660 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.515 0.535 0.631 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.728 -0.007 1.652 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.018 -1.084 3.647 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.674 -1.226 2.276 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.683 0.470 -0.273 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.783 -0.410 -0.757 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.619 0.551 0.786 0.00 0.00 +0.129 A ATOM 29 N LIG 1 -3.258 0.979 2.003 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 -4.218 1.045 2.929 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -5.500 0.699 2.767 0.00 0.00 -0.221 NA ATOM 32 C LIG 1 -5.851 0.262 1.547 0.00 0.00 +0.126 A ATOM 33 C LIG 1 -4.927 0.182 0.519 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 -7.194 -0.092 1.316 0.00 0.00 -0.315 N ATOM 35 C LIG 1 -7.670 -1.151 0.475 0.00 0.00 +0.108 C ATOM 36 C LIG 1 -8.986 -1.062 1.257 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -8.143 -0.395 2.350 0.00 0.00 +0.108 C ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5